Vitas-M small molecule compound
2-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK088429
SMILES COc1cc(cc(c1OCc1ccc(cc1)F)Cl)c1[nH]c(=O)c2c(n1)sc1c2CCC(C1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H22ClFN2O3S MW 484.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClFN2O3S/c1-13-3-8-17-20(9-13)33-25-21(17)24(30)28-23(29-25)15-10-18(26)22(19(11-15)31-2)32-12-14-4-6-16(27)7-5-14/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,28,29,30)InChIKey
RIMKVIBPRRVPTB-UHFFFAOYSA-NSynonyms
2(3chloro4((4fluorobenzyl)oxy)5methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro4((4fluorophenyl)methoxy)5methoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C(=C4)Cl)OCC5=CC=C(C=C5)F)OC
COc1cc(cc(c1OCc1ccc(cc1)F)Cl)c1(nH)c(=O)c2c(n1)sc1c2CCC(C1)C
InChI=1SC25H22ClFN2O3Sc113381720(913)332521(17)24(30)2823(2925)151018(26)22(19(1115)312)3212144616(27)7514h47101113H38912H212H3(H282930)
MFCD05977346
STK088429
ZINC000009724222
ZINC000013894269
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